Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7202208
Preview
| Coordinates | 7202208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | trans-4,4'-azobipyridine. 1,1,2,2,3,3,4,4,5,5,6,6- dodecafluoro-1,8-diiodooctane |
|---|---|
| Chemical name | trans-4,4'-azobipyridine. 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,8-diiodooctane |
| Formula | C16 H8 F12 I2 N4 |
| Calculated formula | C16 H8 F12 I2 N4 |
| SMILES | c1(ccncc1)/N=N/c1ccncc1.C(C(C(F)(C(C(C(F)(F)I)(F)F)(F)F)F)(F)F)(F)(F)I |
| Title of publication | Site-selective supramolecular synthesis of halogen-bonded cocrystals incorporating the photoactive azo group |
| Authors of publication | Fox, David; Metrangolo, Pierangelo; Pasini, Dario; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 9 |
| Pages of publication | 1132 |
| a | 5.2392 ± 0.0005 Å |
| b | 8.8344 ± 0.0009 Å |
| c | 11.552 ± 0.0013 Å |
| α | 94.526 ± 0.008° |
| β | 95.701 ± 0.007° |
| γ | 91.302 ± 0.008° |
| Cell volume | 530.13 ± 0.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0813 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7202208.cif |
| 180353 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/22. |
7202208.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202208.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202208.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202208.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.